U4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P1 | O1 | doub | 1.48Å | 1.44Å | |
| P1 | O2 | sing | 1.61Å | 1.54Å | |
| P1 | O3 | sing | 1.61Å | 1.70Å | |
| P1 | O4 | sing | 1.61Å | 1.66Å | |
| O4 | C5 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.51Å | 1.53Å | |
| C6 | C7 | doub | 1.31Å | 1.32Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H71 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| O3 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | P1 | O2 | 119.3° | 109.5° |
| O1 | P1 | O3 | 102.9° | 109.5° |
| O1 | P1 | O4 | 124.0° | 109.5° |
| O2 | P1 | O3 | 69.0° | 109.5° |
| O2 | P1 | O4 | 112.2° | 109.4° |
| P1 | O2 | H2 | 109.5° | 113.9° |
| O3 | P1 | O4 | 115.2° | 109.5° |
| P1 | O3 | H1 | 109.5° | 114.0° |
| P1 | O4 | C5 | 124.6° | 123.0° |
| O4 | C5 | C6 | 119.2° | 109.5° |
| O4 | C5 | H51 | 107.0° | 109.5° |
| O4 | C5 | H5 | 107.0° | 109.4° |
| C5 | C6 | C7 | 126.8° | 120.0° |
| C6 | C5 | H51 | 107.0° | 109.5° |
| C6 | C5 | H5 | 107.0° | 109.5° |
| C5 | C6 | H6 | 116.6° | 120.0° |
| C6 | C7 | C8 | 127.3° | 120.0° |
| C7 | C6 | H6 | 116.6° | 120.0° |
| C6 | C7 | H71 | 116.4° | 120.0° |
| C8 | C7 | H71 | 116.4° | 120.0° |
| C7 | C8 | H8 | 109.5° | 109.5° |
| C7 | C8 | H82 | 109.5° | 109.4° |
| C7 | C8 | H81 | 109.4° | 109.5° |
| H51 | C5 | H5 | 109.4° | 109.5° |
| H8 | C8 | H82 | 109.4° | 109.5° |
| H8 | C8 | H81 | 109.5° | 109.5° |
| H82 | C8 | H81 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | P1 | O2 | O3 | 93.3° | 120.1° |
| O1 | P1 | O2 | O4 | 157.1° | 120.0° |
| O1 | P1 | O3 | O4 | 137.8° | 120.0° |
| O1 | P1 | O4 | C5 | 41.2° | 55.0° |
| O1 | P1 | O3 | H1 | 0.0° | 179.9° |
| O1 | P1 | O2 | H2 | 0.0° | 60.0° |
| O2 | P1 | O3 | O4 | 105.4° | 119.9° |
| O2 | P1 | O4 | C5 | 114.6° | 175.0° |
| O2 | P1 | O3 | H1 | 116.8° | 60.0° |
| O3 | P1 | O4 | C5 | 169.1° | 65.0° |
| O3 | P1 | O2 | H2 | 93.3° | 60.1° |
| P1 | O4 | C5 | C6 | 155.7° | 180.0° |
| P1 | O4 | C5 | H51 | 34.3° | 59.9° |
| P1 | O4 | C5 | H5 | 82.9° | 60.0° |
| O4 | P1 | O3 | H1 | 137.8° | 59.9° |
| O4 | P1 | O2 | H2 | 157.1° | 180.0° |
| O4 | C5 | C6 | H51 | 121.4° | 120.0° |
| O4 | C5 | C6 | H5 | 121.4° | 120.0° |
| O4 | C5 | C6 | C7 | 83.2° | 135.0° |
| O4 | C5 | H51 | H5 | 115.6° | 120.0° |
| O4 | C5 | C6 | H6 | 96.8° | 45.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C6 | C5 | H51 | H5 | 115.6° | 120.0° |
| C5 | C6 | C7 | H71 | 0.1° | 0.0° |
| C6 | C7 | C8 | H71 | 180.0° | 180.0° |
| C7 | C6 | C5 | H51 | 155.4° | 105.0° |
| C7 | C6 | C5 | H5 | 38.2° | 15.0° |
| C6 | C7 | C8 | H8 | 180.0° | 60.0° |
| C6 | C7 | C8 | H82 | 60.0° | 60.0° |
| C6 | C7 | C8 | H81 | 60.0° | 180.0° |
| C8 | C7 | C6 | H6 | 0.1° | 0.0° |
| C7 | C8 | H8 | H82 | 120.0° | 120.0° |
| C7 | C8 | H8 | H81 | 120.0° | 120.0° |
| C7 | C8 | H82 | H81 | 120.0° | 120.0° |
| H51 | C5 | C6 | H6 | 24.6° | 75.0° |
| H5 | C5 | C6 | H6 | 141.8° | 165.0° |
| H6 | C6 | C7 | H71 | 179.9° | 179.9° |
| H71 | C7 | C8 | H8 | 0.0° | 120.0° |
| H71 | C7 | C8 | H82 | 120.0° | 120.0° |
| H71 | C7 | C8 | H81 | 120.0° | 0.0° |
| H8 | C8 | H82 | H81 | 120.0° | 120.0° |
